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Ultrafast fragmentation dynamics of carbon dioxide trication induced by an intense laser field: Transient deformation route vs direct Coulomb repulsion 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2025, 卷号: 162, 期号: 11
作者:  Xu, Weiqing;  Dong, Ruichao;  Wang, Xincheng;  Chen, Ahai;  Jiang, Yuhai
Adobe PDF(7829Kb)  |  收藏  |  浏览/下载:42/1  |  提交时间:2025/04/07
Microenvironment of the HMOR catalyst leads to high ethylene selectivity from ketene conversion: Insights from ab initio molecular dynamics simulations 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2024, 卷号: 481
作者:  Chen, Qingteng;  Liu, Jian;  Yang, Bo
Adobe PDF(7253Kb)  |  收藏  |  浏览/下载:254/2  |  提交时间:2024/02/02
Tunable activity of electrocatalytic CO dimerization on strained Cu surfaces: Insights from ab initio molecular dynamics simulations 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2022, 卷号: 43, 期号: 11, 页码: 2898-2905
作者:  Liu, Hong;  Liu, Jian;  Yang, Bo
Adobe PDF(7141Kb)  |  收藏  |  浏览/下载:382/0  |  提交时间:2022/11/11
Dehydroxylation of Glycerol on Pt Surfaces: An ab initio Molecular Dynamics Study 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2022, 卷号: 35, 期号: 4
作者:  Xie, Jiaxuan;  Liu, Jian;  Yang, Bo
收藏  |  浏览/下载:285/0  |  提交时间:2022/05/04
Electrocatalytic oxidation of ammonia on Pt: Mechanistic insights into the formation of N2 in alkaline media 期刊论文
JOURNAL OF CATALYSIS, 2022, 卷号: 405
作者:  Yang, Kunran;  Liu, Jian;  Yang, Bo
Adobe PDF(1854Kb)  |  收藏  |  浏览/下载:241/0  |  提交时间:2021/12/17
Promotional Role of a Cation Intermediate Complex in C-2 Formation from Electrochemical Reduction of CO2 over Cu 期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 19, 页码: 12336-12343
作者:  Liu, Hong;  Liu, Jian;  Yang, Bo
Adobe PDF(2172Kb)  |  收藏  |  浏览/下载:315/0  |  提交时间:2021/10/29
Mechanism and Active Species in NH3 Dehydrogenation under an Electrochemical Environment: An Ab Initio Molecular Dynamics Study 期刊论文
ACS CATALYSIS, 2021, 卷号: 11, 期号: 7, 页码: 4310–4318
作者:  Kunran, Yang;  Jian, Liu;  Bo, Yang
Adobe PDF(4641Kb)  |  收藏  |  浏览/下载:237/2  |  提交时间:2021/04/23
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